methyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide

Systemtic Name: methyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide Openeye Name: methyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide CAS Name: 3-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 3-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)benzoate hydrobromide Traditional Name: 3-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]benzoic acid methyl ester hydrobromide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3CCCCC3N2.Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3CCCCC3N2.Br

InChI

InChI=1S/C16H20N2O2S.BrH/c1-20-15(19)12-6-4-5-11(9-12)10-21-16-17-13-7-2-3-8-14(13)18-16;/h4-6,9,13-14H,2-3,7-8,10H2,1H3,(H,17,18);1H